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NASA NTRS1995

Superconducting materials processing

The effects of materials processing on the properties and behavior of high temperature yttrium barium copper oxide (YBCO) superconductors were investigated. Electrical, magnetic, and structural characteristics of thin films (300 nm) YBA2CU3O(delta) structures grown by pulsed laser deposition on LaAlO3 and SrTiO3 substrates were used to evaluate processing. Pole projection and thin film diffraction measurements were used to establish grain orientation and verify structural integrity of the samples. Susceptibility magnetization, and transport measurements were used to evaluate the magnetic and electrical transport properties of the samples. Our results verified that an unfortunate consequence of processing is inherent changes to the internal structure of the material. This effect translates into modifications in the properties of the materials, and undesired feature that makes it very difficult to consistently predict material behavior. The results show that processing evaluation must incorporate a comprehensive understanding of the properties of the materials. Future studies will emphasize microstructural characteristics of the materials, in particular, those microscopic properties that map macroscopic behavior.

Hurley, John S.↗

NASA NTRS2000

Assessment of Low Cycle Fatigue Behavior of Powder Metallurgy Alloy U720

The fatigue lives of modem powder metallurgy disk alloys are influenced by variabilities in alloy microstructure and mechanical properties. These properties can vary as functions of variables the different steps of materials/component processing: powder atomization, consolidation, extrusion, forging, heat treating, and machining. It is important to understand the relationship between the statistical variations in life and these variables, as well as the change in life distribution due to changes in fatigue loading conditions. The objective of this study was to investigate these relationships in a nickel-base disk superalloy, U720, produced using powder metallurgy processing. Multiple strain-controlled fatigue tests were performed at 538 C (1000 F) at limited sets of test conditions. Analyses were performed to: (1) assess variations of microstructure, mechanical properties, and LCF failure initiation sites as functions of disk processing and loading conditions; and (2) compare mean and minimum fatigue life predictions using different approaches for modeling the data from assorted test conditions. Significant variations in life were observed as functions of the disk processing variables evaluated. However, the lives of all specimens could still be combined and modeled together. The failure initiation sites for tests performed at a strain ratio R(sub epsilon) = epsilon(sub min)/epsilon(sub max) of 0 were different from those in tests at a strain ratio of -1. An approach could still be applied to account for the differences in mean and maximum stresses and strains. This allowed the data in tests of various conditions to be combined for more robust statistical estimates of mean and minimum lives.

Gabb, Tomothy P.↗

NASA NTRS2002

Nanotube Reinforcement of Adhesively Bonded Joints

Over the past five years there has been much excitement about the development of nanotubes and nanofibers and the potential that these materials may offer in enhancing electrical and mechanical properties of systems. The purpose of this paper is to present research into improving the mechanical performance of polymers by using nanofibers as a reinforcement to make high performance composite materials. This paper will present theoretical predictions of the composite modulus and then present the actual performance of the composite. Fabrication details will be given along with photos of the microstructure. The matrix material is polymethylmethacrylate (PMMA) and the nanofibers are vapor-grown carbon nanofibers produced by Pyrograph Products, Inc.

Johnson, W. S.↗

NASA NTRS2003

Nanotube Reinforcement of Adhesively Bonded Joints

Johnson, W. S.↗

NASA NTRS1998

Microstructural Development of Directionally Solidified Hg(1-x)Zn(x)Se Alloys

Hg(1-x)Zn(x)Se alloys have been studied as an alternative to HgCdTe for the detection of electromagnetic radiation, because the shorter ZnSe and HgSe bonds were predicted to improve lattice stability. Previous studies showed that optical properties were stable with time and that the microhardness was higher than for HgTe based alloys. However, for this material to be commercially viable, compositional variations must be reduced, and the distribution of defects induced by the growth process must be understood. The basic structural properties of bulk materials were characterized, and dislocation etch pit densities were measured to determine whether the addition of Zn to the HgSe lattice reduced the potential for dislocation formation. Hg(0.9)Zn(0.1)Se alloys were directionally solidified using a modified Bridgman-Stockbarger method and in an applied magnetic field. Radial compositional variations were greatly reduced when solidification occurred in an applied magnetic field. The combination of a convex liquid-solid interface shape and a method for reduced wetting produced boules that were a single crystal after reaching full diameter. Observed surface features indicated ampoule wetting could be eliminated using a graphite getter. Microstructural characteristics were greatly improved over HgCdTe alloys, In six boules, a total of only one twin was observed, and no inclusions were found. A method for polishing and producing dislocation etch pits was developed for these alloys, revealing dislocation etch pit densities one to two orders of magnitude less than HgTe based alloys. A kink in the thermal profile during processing of one boule generated more dislocations than did lattice mismatch due to compositional variations. The results of this investigation indicate this alloy has improved microstructural properties and resistance to dislocation formation compared with similar II-VI alloys, and should be further investigated for the detection of electromagnetic radiation.

Cobb, S. D.↗

DOE OSTI2025

Model form and sensitivity analysis of CALPHAD-based nucleation models in b-stabilized Ti alloys

Accurate prediction of α-phase nucleation and growth in β-stabilized titanium alloys is crucial for designing heat treatments to optimize mechanical properties in additively manufactured lightweight components. Ideally, predictions of nucleation and growth would incorporate both top-down observations of past experimental heat treatments and bottom-up modeling of phase transformations; however, the appropriate method of combining these information sources is not self-evident. Combining top-down and bottom-up information requires a unified form of model that can connect between spatiotemporal scales, as well as sets of fitting parameters that can be identified by each data source. The selection of which parameters to fit to which data source can be made based on expert opinion, or by performing a sensitivity analysis. In solid-solid nucleation, direct observation of the nucleation and growth process is challenging. Most data on the heat treatment-controlled phase transformations are not in-situ. To predict the process and outcome of the nucleation, growth and coarsening of precipitates, theoretical models of the nucleation pathway are used to bridge the gap. Many sources of uncertainty affect the modeling of this nucleation process. It can be influenced by small variations in the thermomechanical processing history, chemical composition, and initial microstructure. If molecular dynamics (MD) simulations are used to determine thermodynamic quantities and inform CALPHAD modeling, additional uncertainty can be introduced and accounted for using Bayesian methods. Top-down uncertainties require additional steps to quantify. The influence of nucleation model form on the sensitivity of predictions to input parameters and physical conditions is the focus of this study. Classical nucleation theory (CNT) allows modeling to formulate the nucleation as homogeneous or, more commonly, heterogeneous. Non-classical nucleation models are also increasingly explored as a means of reconciling top-down and bottom-up data. In this study, the sensitivity of the intragranular nucleation of α in a β-annealed, slow-cooled aging (BASCA) heat treatment of β-stabilized Ti5553 alloy is explored using CNT and both heterogeneous and homogeneous assumptions. The Kampmann-Wagner Numerical model of precipitate nucleation and growth is employed. Using open-source tools (pyCalphad and thermodynamic modeling of TiMo as a surrogate system, a sensitivity analysis is performed to measure variations in key parameters, including chemical driving force, interfacial energy, and diffusivity, as they relate to predictions of precipitate number density. The inclusion of top-down and bottom-up data in selection of nucleation model form is discussed.

Rodriguez Negron, A. M.↗

NASA NTRS1995

Observations of the magnetopause current layer: Cases with no boundary layer and tests of recent models

Evidence for the probable existence of magnetospheric boundary layers was first presented by Hones, et al. (1972), based on VELA satellite plasma observations (no magnetic field measurements were obtained). This magnetotail boundary layer is now known to be the tailward extension of the high-latitude boundary layer or plasma mantle (first uniquely identified using HEOS 2 plasma and field observations by Rosenbauer et al., 1975) and the low-latitude boundary layer (first uniquely identified using IMP 6 plasma and field observations by Eastman et al., 1976). The magnetospheric boundary layer is the region of magnetosheath-like plasma located Earthward of, but generally contiguous with the magnetopause. This boundary layer is typically identified by comparing low-energy (less than 10 keV) ion spectra across the magnetopause. Low-energy electron measurements are also useful for identifying the boundary layer because the shocked solar wind or magnetosheath has a characteristic spectral signature for electrons as well. However, there are magnetopause crossings where low-energy electrons might suggest a depletion layer outside the magnetopause even though the traditional field-rotation signature indicates that this same region is a boundary layer Earthward of the current layer. Our analyses avoided crossings which exhibit such ambiguities. Pristine magnetopause crossings are magnetopause crossings for which the current layer is well defined and for which there is no adjoining magnetospheric boundary layer as defined above. Although most magnetopause models to date apply to such crossings, few comparisons between such theory and observations of pristine magnetopause crossings have been made because most crossings have an associated magnetospheric boundary layer which significantly affects the applicable boundary conditions for the magnetopause current layer. Furthermore, almost no observational studies of magnetopause microstructure have been done even though key theoretical issues have been discussed for over two decades. This is because plasma instruments deployed prior to the ISEE and AMPTE missions did not have the required time resolution and most ISEE investigations to-date have focused on tests of MHD plasma models, especially reconnection. More recently, many phenomenological and theoretical models have been developed to explain the existence and characteristics of the magnetospheric boundary layers with only limited success to date. The cases with no boundary layer treated in this study provide a contrary set of conditions to those observed with a boundary layer. For the measured parameters of such cases, a successful boundary layer model should predict no plasma penetration across the magnetopause. Thus, this research project provides the first direct observational tests of magnetopause models using pristine magnetopause crossings and provides important new results on magnetopause microstructure and associated kinetic processes.

Eastman, Timothy E.↗

DOE OSTI2026

Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon

Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.

Data-driven framework↗

DOE OSTI2025

Microstructural evolution and phase stability in Nb-containing interstitial Fe-Mn-Co-Cr-C high-entropy alloys: An in-situ synchrotron X-ray diffraction study during laser melting

The influence of Nb on phase stability and microstructural evolution in an interstitial Fe-Mn-Co-Cr-C high-entropy alloy was investigated using in-situ synchrotron X-ray diffraction (SXRD) during laser melting. Scheil-Gulliver simulations predict the formation of σ and γ-f.c.c. phases in all three alloys, along with NbC in Nb-containing compositions. SXRD confirmed the presence of most predicted phases, but the σ phase was absent. Nb promotes crystallite refinement and increases dislocation density, though excessive additions reduce refinement efficiency due to solubility limits and secondary phase formation. Furthermore, Nb addition also enhances ε-h.c.p. phase formation by reducing stacking fault energy through NbC-induced carbon depletion. Analysis of intensity peak evolution reveals that Nb alters preferred grain orientations, reducing {111} γ intensity while enhancing {220} γ , leading to a more isotropic grain distribution. Overall, Nb plays a key role in phase selection, microstructure refinement, and preferred orientation evolution, allowing the tailored microstructure of high-entropy alloys via rapid solidification.

Interstitial high entropy alloys↗

NASA NTRS1992

Creep fatigue life prediction for engine hot section materials (isotropic)

This Final Report covers the activities completed under the optional program of the NASA HOST Contract, NAS3-23288. The initial effort of the optional program was report-in NASA CR189221, which consisted of high temperature strain controlled fatigue tests to study the effects of thermomechanical fatigue, multiaxial loading, reactive environments, and imposed stresses. The baseline alloy used in the tests included B1900+Hf (with or without coating) and wrought INCO 718. Tests conducted on B1900+Hf included environmental tests using various atmospheres (75 psig oxygen, purified argon, or block exposures) and specimen tests of wrought INCO 718 included tensile, creep, stress rupture, TMF, multiaxial, and mean stress tests. Results of these testings were used to calibrate a CDA model for INCO 718 alloy and to develop modifications or corrections to the CDA model to handle additional failure mechanisms. The Socie parameter was found to provide the best correlation for INCO multiaxial loading. Microstructural evaluations consisting of optical, Scanning Electron Microscopy (SEM), and Transmission Electron Microscopy (TEM) techniques, and surface replication techniques to determine crack initiation lives provided data which were used to develop life prediction models.

Nelson, R. S.↗

NASA NTRS1986

Ultrasonic characterization of microstructure in powder metal alloy

The ultrasonic wave propagation characteristics were measured for IN-100, a powder metallurgy alloy used for aircraft engine components. This material was as a model system for testing the feasibility of characterizing the microstructure of a variety of inhomogeneous media including powder metals, ceramics, castings and components. The data were obtained for a frequency range from about 2 to 20 MHz and were statistically averaged over numerous volume elements of the samples. Micrographical examination provided size and number distributions for grain and pore structure. The results showed that the predominant source for the ultrasonic attenuation and backscatter was a dense (approx. 100/cubic mm) distribution of small micropores (approx. 10 micron radius). Two samples with different micropore densities were studied in detail to test the feasibility of calculating from observed microstructural parameters the frequency dependence of the microstructural backscatter in the regime for which the wavelength is much larger than the size of the individual scattering centers. Excellent agreement was found between predicted and observed values so as to demonstrate the feasibility of solving the forward problem. The results suggest a way towards the nondestructive detection and characterization of anomalous distributions of micropores when conventional ultrasonic imaging is difficult. The findings are potentially significant toward the application of the early detection of porosity during the materials fabrication process and after manufacturing of potential sites for stress induced void coalescence leading to crack initiation and subsequent failure.

Tittmann, B. R.↗

NASA NTRS1990

Deformation and fracture of thin sheet aluminum-lithium alloys: The effect of cryogenic temperatures

The objective is to characterize the fracture behavior and to define the fracture mechanisms for new Al-Li-Cu alloys, with emphasis on the role of indium additions and cryogenic temperatures. Three alloys were investigated in rolled product form: 2090 baseline and 2090 + indium produced by Reynolds Metals, and commercial AA 2090-T81 produced by Alcoa. The experimental 2090 + In alloy exhibited increases in hardness and ultimate strength, but no change in tensile yield strength, compared to the baseline 2090 composition in the unstretched T6 condition. The reason for this behavior is not understood. Based on hardness and preliminary Kahn Tear fracture experiments, a nominally peak-aged condition was employed for detailed fracture studies. Crack initiation and growth fracture toughness were examined as a function of stress state and microstructure using J(delta a) methods applied to precracked compact tension specimens in the LT orientation. To date, J(delta a) experiments have been limited to 23 C. Alcoa 2090-T81 exhibited the highest toughness regardless of stress state. Fracture was accompanied by extensive delamination associated with high angle grain boundaries normal to the fatigue precrack surface and progressed microscopically by a transgranular shear mechanism. In contrast the two peak-aged Reynolds alloys had lower toughness and fracture was intersubgranular without substantial delamination. The influences of cryogenic temperature, microstructure, boundary precipitate structure, and deformation mode in governing the competing fracture mechanisms will be determined in future experiments. Results contribute to the development of predictive micromechanical models for fracture modes in Al-Li alloys, and to fracture resistant materials.

Wagner, John A.↗

DOE OSTI2026

Reduced‐Order Modeling of Energetic Materials Using Physics‐Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC)

Physics-aware deep learning (PADL) has gained popularity for use in spatiotemporal dynamics simulations, such as those in computational modeling of energetic materials (EM). We show that the challenge PADL methods face while learning complex field evolution problems can be simplified and accelerated by decoupling it into two tasks: learning complex geometric features in evolving fields and modeling dynamics over these features in a lower-dimensional feature space. We build upon our previous work on physics-aware recurrent convolutional neural networks (PARC). PARC embeds knowledge of underlying physics into its neural network architecture for more robust and accurate prediction of evolving physical fields. PARC was shown to effectively learn complex nonlinear features such as the formation of hotspots and coupled shock fronts in various initiation scenarios of EMs, as a function of microstructures, serving effectively as a microstructure-aware burn model. Here, we further accelerate PARC and reduce its computational cost by projecting the original dynamics onto a lower-dimensional invariant manifold, or “latent space.” The projected latent representation encodes the complex geometry of evolving fields (e.g., temperature and pressure) in a set of data-driven features. The reduced dimension of this latent space allows us to learn the dynamics during the initiation of EM with a lighter and more efficient model. We observe a significant decrease in training and inference time while maintaining results comparable to PARC at inference. This work takes steps towards enabling rapid prediction of EM thermomechanics at larger scales and characterization of EM structure–property–performance linkages at a full application scale.

Mathematics and Computing↗

NASA NTRS2015

Printing Outside the Box: Additive Manufacturing Processes for Fabrication of Large Aerospace Structures

To achieve NASA's mission of space exploration, innovative manufacturing processes are being applied to the fabrication of propulsion elements. Liquid rocket engines (LREs) are comprised of a thrust chamber and nozzle extension as illustrated in figure 1 for the J2X upper stage engine. Development of the J2X engine, designed for the Ares I launch vehicle, is currently being incorporated on the Space Launch System. A nozzle extension is attached to the combustion chamber to obtain the expansion ratio needed to increase specific impulse. If the nozzle extension could be printed as one piece using free-form additive manufacturing (AM) processes, rather than the current method of forming welded parts, a considerable time savings could be realized. Not only would this provide a more homogenous microstructure than a welded structure, but could also greatly shorten the overall fabrication time. The main objective of this study is to fabricate test specimens using a pulsed arc source and solid wire as shown in figure 2. The mechanical properties of these specimens will be compared with those fabricated using the powder bed, selective laser melting technology at NASA Marshall Space Flight Center. As printed components become larger, maintaining a constant temperature during the build process becomes critical. This predictive capability will require modeling of the moving heat source as illustrated in figure 3. Predictive understanding of the heat profile will allow a constant temperature to be maintained as a function of height from substrate while printing complex shapes. In addition, to avoid slumping, this will also allow better control of the microstructural development and hence the properties. Figure 4 shows a preliminary comparison of the mechanical properties obtained.

Babai, Majid↗

DOE OSTI2026

Infrared triggered dwell and active cooling thermal control effects on microstructural uniformity in DED

Directed Energy Deposition (DED) offers rapid large scale fabrication, but difficulty in delivering consistent microstructures and properties hinders the use of DED fabricated components in safety or performance critical applications. Variability stems from the complex thermal cycles generated by the toolpath used to print the required geometry. Several practical methods have become established in DED to regulate overheating, such as active cooling of the baseplate structure or the use of an infrared camera to inject interlayer pauses to ensure the top layer of the component cools to a set temperature, which have been shown to affect microstructure. However, no critical assessment has been performed as to how effective these controls are in promoting microstructural uniformity in the context of complex layer timing commonly generated by non-prismatic geometries. Here we show how controls influence the thermal field, phase transformations, and dynamic annealing of a low-temperature transformation steel using infrared imaging and operando neutron diffraction. Counterintuitively, common thermal homogenization process controls can reduce microstructural uniformity because these approaches stabilize peak temperature while overlooking temperatures near the solid-state phase transformation fronts. Instead, the cyclic reheating induces spatially-variant dynamically annealed regions which can be modulated via control parameters. We show that these controls have spatially linked effects centimeters away from the active weld, which implies that microstructure control must co-optimize thermal input across many subsequent layers. In conclusion, our results demonstrate the pressing need for higher order controls that integrate predictive elements of simulation data to stabilize printed properties for future qualification of DED components.

Directed energy deposition↗

DOE OSTI2024

Identifying multiple synergistic factors on the susceptibility to stress relaxation cracking in variously heat-treated weldments

The 347H austenitic stainless steel has been widely used for pressure vessels and pipeline (PVP) applications due to its excellent creep and corrosion resistance, which fit ideally to the harsh conditions in petrochemical industries, fossil fuel or nuclear power plants, and modern energy storages. However, a failure mode has been commonly observed with cracks emerging at the heat affected zone (HAZ) of weldments during post-weld heat treatment (PWHT) or under intermediate to high temperature service conditions. This phenomenon is termed as Stress Relaxation Cracking (SRC) since the purpose of PWHT is to relieve the welding-induced residual stress fields, or as Stress Age Cracking (SAC) if failure happens during service. A leading literature explanation of this failure suggests that the residual stress relaxation and the precipitation dissolution and/or re-precipitation occur in the same temperature range, which can lead to locally high strains and thus to crack at the grain boundaries. Since in situ spatial measurements of residual stress fields, microstructural evolution, and failure processes are nearly infeasible, this work recourses to a micromechanical finite element framework that models the high temperature failure as the nucleation and growth of grain boundary cavities, whereas various parameters such as thermomechanical loading history and its evolution, the competition of grain-interior dislocation creep and grain-boundary diffusion in failure lifetime, and microstructural heterogeneities (such as the precipitate free zone near grain boundaries) can be quantitatively incorporated. It can be concluded from these microstructure-explicit simulations that an accurate knowledge of residual stress evolution and a carefully calibrated set of material constitutive parameters are the essential prerequisites for lifetime predictions. The understanding of individual governing factors also leads to a mechanistic interpretation of the observed SRC susceptibility C-curves. In conclusion, these results suggest that the criticality of residual stress evolution, but not the precipitation-induced local strains, be the leading factor for SRC.

347H stainless steel weldments↗

NASA NTRS1996

Trabecular Bone Mechanical Properties and Fractal Dimension

Countermeasures for reducing bone loss and muscle atrophy due to extended exposure to the microgravity environment of space are continuing to be developed and improved. An important component of this effort is finite element modeling of the lower extremity and spinal column. These models will permit analysis and evaluation specific to each individual and thereby provide more efficient and effective exercise protocols. Inflight countermeasures and post-flight rehabilitation can then be customized and targeted on a case-by-case basis. Recent Summer Faculty Fellowship participants have focused upon finite element mesh generation, muscle force estimation, and fractal calculations of trabecular bone microstructure. Methods have been developed for generating the three-dimensional geometry of the femur from serial section magnetic resonance images (MRI). The use of MRI as an imaging modality avoids excessive exposure to radiation associated with X-ray based methods. These images can also detect trabecular bone microstructure and architecture. The goal of the current research is to determine the degree to which the fractal dimension of trabecular architecture can be used to predict the mechanical properties of trabecular bone tissue. The elastic modulus and the ultimate strength (or strain) can then be estimated from non-invasive, non-radiating imaging and incorporated into the finite element models to more accurately represent the bone tissue of each individual of interest. Trabecular bone specimens from the proximal tibia are being studied in this first phase of the work. Detailed protocols and procedures have been developed for carrying test specimens through all of the steps of a multi-faceted test program. The test program begins with MRI and X-ray imaging of the whole bones before excising a smaller workpiece from the proximal tibia region. High resolution MRI scans are then made and the piece further cut into slabs (roughly 1 cm thick). The slabs are X-rayed again and also scanned using dual-energy X-ray absorptiometry (DEXA). Cube specimens are then cut from the slabs and tested mechanically in compression. Correlations between mechanical properties and fractal dimension will then be examined to assess and quantify the predictive capability of the fractal calculations.

Hogan, Harry A.↗

NASA NTRS2019

Microstructural and Mechanical Characterization of a Dispersion Strengthened Medium Entropy Alloy Produced Using Selective Laser Melting

High entropy alloys (HEAs) are an interesting new class of alloys which have been shown to exhibit both notable strength and ductility for a wide range of temperature and stresses. In addition, the remarkably small difference between the solvus and liquidus temperatures for many face centered cubic HEAs makes them an excellent candidate for selective laser melting fabrication. In this study, the microstructure and mechanical properties of a dispersion strengthened equiatomic NiCoCr alloy successfully produced using selective laser melting are explored. The effect laser speed, laser power, and powder recyclability have on final part density and microstructural segregation are analyzed through both x-ray diffraction and high resolution scanning electron microscopy. These results are further validated and compared to stable phase predictions produced using a commercially available high entropy alloy mobility database. Lastly, the tensile strengths resulting from different heat treatment pathways are detailed.

Smith, T. M.↗